3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid

C10H15N3O2S — CID 106983023

IUPAC3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(c2ncns2)C1
InChIInChI=1S/C10H15N3O2S/c1-7(2)10(8(14)15)3-4-13(5-10)9-11-6-12-16-9/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyRGPFNQFBRLNZLK-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.48
Rot. Bonds3

About 3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid

3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid (PubChem CID 106983023) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
PubChem CID106983023
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(c2ncns2)C1
InChIInChI=1S/C10H15N3O2S/c1-7(2)10(8(14)15)3-4-13(5-10)9-11-6-12-16-9/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyRGPFNQFBRLNZLK-UHFFFAOYSA-N
XLogP1.48
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983073
3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
CID 130174434
[3-fluoro-1-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanol
CID 131176737
1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982984
3-propan-2-yl-1-quinazolin-4-ylpyrrolidine-3-carboxylic acid
CID 106983135
1-(5-nitropyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983125
3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid
CID 106983124
1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983174
1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983041
1-(3-nitro-2-pyridinyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982982
1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983097
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982941

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid (CID 106983023) is 3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(c2ncns2)C1.
What is the InChIKey of 3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is RGPFNQFBRLNZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7(2)10(8(14)15)3-4-13(5-10)9-11-6-12-16-9/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid?
3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106983023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).